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BDBM50443512 CHEMBL3087817

SMILES: Cc1nn(C)cc1-c1nc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccc3)c2[nH]1

InChI Key: InChIKey=GHUCLWIVBWSXOR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50443512   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aurora kinase A


(Homo sapiens (Human))
BDBM50443512
PNG
(CHEMBL3087817)
Show SMILES Cc1nn(C)cc1-c1nc2nccc(Oc3ccc(cc3)C(=O)Nc3ccccc3)c2[nH]1
Show InChI InChI=1S/C24H20N6O2/c1-15-19(14-30(2)29-15)22-27-21-20(12-13-25-23(21)28-22)32-18-10-8-16(9-11-18)24(31)26-17-6-4-3-5-7-17/h3-14H,1-2H3,(H,26,31)(H,25,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 618n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of N-terminal HIS-tagged aurora-A (unknown origin) using 5FAM-LRRASLG-CONH2 as substrate after 60 mins


J Med Chem 56: 9122-35 (2013)


Article DOI: 10.1021/jm401115g
BindingDB Entry DOI: 10.7270/Q2R78GPN
More data for this
Ligand-Target Pair